bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine;N-[3-(5,5-dimethylhexoxy)propyl]-2-methylpropan-2-amine

C107H229N9O11 — CID 167587538

IUPACbis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine;N-[3-(5,5-dimethylhexoxy)propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)CCCCOCCCNC(C)(C)C.CC(C)(C)CCN1CCN(CCCNC(C)(C)C)CC1.CC(C)(C)COCCCOC1CN(C(C)(C)C)C1.CC(C)(C)COCCOC1CC(NC(C)(C)C)C1.CC(C)(C)COCCOC1CC(NC(C)(C)C)C1.C[C@@H](OCCCOCCNC(C)(C)C)C(C)(C)C.C[C@H](OCCCOCCNC(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H37N3.3C15H31NO2.2C15H33NO2.C15H33NO/c1-16(2,3)8-11-20-14-12-19(13-15-20)10-7-9-18-17(4,5)6;2*1-14(2,3)11-17-7-8-18-13-9-12(10-13)16-15(4,5)6;1-14(2,3)12-17-8-7-9-18-13-10-16(11-13)15(4,5)6;2*1-13(14(2,3)4)18-11-8-10-17-12-9-16-15(5,6)7;1-14(2,3)10-7-8-12-17-13-9-11-16-15(4,5)6/h18H,7-15H2,1-6H3;2*12-13,16H,7-11H2,1-6H3;13H,7-12H2,1-6H3;2*13,16H,8-12H2,1-7H3;16H,7-13H2,1-6H3/t;;;;2*13-;/m....10./s1
InChIKeyHZMYWVMHHPJEPZ-LLJNZTLYSA-N
MW1818.06 g/mol
LogP22.19
Rot. Bonds48

About bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine;N-[3-(5,5-dimethylhexoxy)propyl]-2-methylpropan-2-amine

bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine;N-[3-(5,5-dimethylhexoxy)propyl]-2-methylpropan-2-amine (PubChem CID 167587538) has the molecular formula C107H229N9O11 and a molecular weight of 1818.06 g/mol. Its IUPAC name is bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine;N-[3-(5,5-dimethylhexoxy)propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound Namebis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine;N-[3-(5,5-dimethylhexoxy)propyl]-2-methylpropan-2-amine
PubChem CID167587538
Molecular FormulaC107H229N9O11
Molecular Weight1818.06 g/mol
Exact Mass1816.76
IUPAC Namebis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine;N-[3-(5,5-dimethylhexoxy)propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)CCCCOCCCNC(C)(C)C.CC(C)(C)CCN1CCN(CCCNC(C)(C)C)CC1.CC(C)(C)COCCCOC1CN(C(C)(C)C)C1.CC(C)(C)COCCOC1CC(NC(C)(C)C)C1.CC(C)(C)COCCOC1CC(NC(C)(C)C)C1.C[C@@H](OCCCOCCNC(C)(C)C)C(C)(C)C.C[C@H](OCCCOCCNC(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H37N3.3C15H31NO2.2C15H33NO2.C15H33NO/c1-16(2,3)8-11-20-14-12-19(13-15-20)10-7-9-18-17(4,5)6;2*1-14(2,3)11-17-7-8-18-13-9-12(10-13)16-15(4,5)6;1-14(2,3)12-17-8-7-9-18-13-10-16(11-13)15(4,5)6;2*1-13(14(2,3)4)18-11-8-10-17-12-9-16-15(5,6)7;1-14(2,3)10-7-8-12-17-13-9-11-16-15(4,5)6/h18H,7-15H2,1-6H3;2*12-13,16H,7-11H2,1-6H3;13H,7-12H2,1-6H3;2*13,16H,8-12H2,1-7H3;16H,7-13H2,1-6H3/t;;;;2*13-;/m....10./s1
InChIKeyHZMYWVMHHPJEPZ-LLJNZTLYSA-N
XLogP22.19
TPSA183.43 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds48
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001818.06
LogP ≤ 522.19
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine;N-[3-(5,5-dimethylhexoxy)propyl]-2-methylpropan-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine;N-[3-(5,5-dimethylhexoxy)propyl]-2-methylpropan-2-amine?
The IUPAC name of bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine;N-[3-(5,5-dimethylhexoxy)propyl]-2-methylpropan-2-amine (CID 167587538) is bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine;N-[3-(5,5-dimethylhexoxy)propyl]-2-methylpropan-2-amine.
What is the SMILES notation for bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine;N-[3-(5,5-dimethylhexoxy)propyl]-2-methylpropan-2-amine?
The canonical SMILES for bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine;N-[3-(5,5-dimethylhexoxy)propyl]-2-methylpropan-2-amine is CC(C)(C)CCCCOCCCNC(C)(C)C.CC(C)(C)CCN1CCN(CCCNC(C)(C)C)CC1.CC(C)(C)COCCCOC1CN(C(C)(C)C)C1.CC(C)(C)COCCOC1CC(NC(C)(C)C)C1.CC(C)(C)COCCOC1CC(NC(C)(C)C)C1.C[C@@H](OCCCOCCNC(C)(C)C)C(C)(C)C.C[C@H](OCCCOCCNC(C)(C)C)C(C)(C)C.
What is the InChIKey of bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine;N-[3-(5,5-dimethylhexoxy)propyl]-2-methylpropan-2-amine?
The InChIKey is HZMYWVMHHPJEPZ-LLJNZTLYSA-N. The full InChI is InChI=1S/C17H37N3.3C15H31NO2.2C15H33NO2.C15H33NO/c1-16(2,3)8-11-20-14-12-19(13-15-20)10-7-9-18-17(4,5)6;2*1-14(2,3)11-17-7-8-18-13-9-12(10-13)16-15(4,5)6;1-14(2,3)12-17-8-7-9-18-13-10-16(11-13)15(4,5)6;2*1-13(14(2,3)4)18-11-8-10-17-12-9-16-15(5,6)7;1-14(2,3)10-7-8-12-17-13-9-11-16-15(4,5)6/h18H,7-15H2,1-6H3;2*12-13,16H,7-11H2,1-6H3;13H,7-12H2,1-6H3;2*13,16H,8-12H2,1-7H3;16H,7-13H2,1-6H3/t;;;;2*13-;/m....10./s1.
What are the key properties of bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine;N-[3-(5,5-dimethylhexoxy)propyl]-2-methylpropan-2-amine?
bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine;N-[3-(5,5-dimethylhexoxy)propyl]-2-methylpropan-2-amine has a molecular weight of 1818.06 g/mol, XLogP of 22.19, 48 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-tert-butyl-3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutan-1-amine);1-tert-butyl-3-[3-(2,2-dimethylpropoxy)propoxy]azetidine;N-[2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(2S)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl]-2-methylpropan-2-amine;N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine;N-[3-(5,5-dimethylhexoxy)propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 167587538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).